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Ligand

NameCHEMBL1945292
Molecular formulaC21H27N3O4S
IUPAC name4-hydroxy-7-[(1R)-1-hydroxy-2-[2-[3-[(2-methoxyethylamino)methyl]phenyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight417.524
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.2
SynonymsBDBM50419660
SCHEMBL1799537
Inchi KeyBGLYKONMLBFSGK-SFHVURJKSA-N
Inchi IDInChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1
PubChem CID24901283
ChEMBLCHEMBL1945292
IUPHARN/A
BindingDB50419660
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23117Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
23116Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
23114Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
23118Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
23115D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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